N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide

C20H15N5O3S2 — CID 70789450

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26)
InChIKeyPKXGEMWOLLLERF-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.65
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 70789450) has the molecular formula C20H15N5O3S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID70789450
Molecular FormulaC20H15N5O3S2
Molecular Weight437.51 g/mol
Exact Mass437.06
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26)
InChIKeyPKXGEMWOLLLERF-UHFFFAOYSA-N
XLogP3.65
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide (CID 70789450) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is PKXGEMWOLLLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 70789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).